N-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine

C12H23NO2S — CID 65093327

IUPACN-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine
SMILESCCS(=O)(=O)CCCNC1CC2CCC1C2
InChIInChI=1S/C12H23NO2S/c1-2-16(14,15)7-3-6-13-12-9-10-4-5-11(12)8-10/h10-13H,2-9H2,1H3
InChIKeyQTTICYNYOAMDEB-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.59
Rot. Bonds6

About N-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine

N-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 65093327) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is N-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID65093327
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC NameN-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine
SMILESCCS(=O)(=O)CCCNC1CC2CCC1C2
InChIInChI=1S/C12H23NO2S/c1-2-16(14,15)7-3-6-13-12-9-10-4-5-11(12)8-10/h10-13H,2-9H2,1H3
InChIKeyQTTICYNYOAMDEB-UHFFFAOYSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine
CID 124526640
(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
CID 98048766
N-(3-ethoxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 61308200
N-(3-methylsulfinylpropyl)bicyclo[2.2.1]heptan-2-amine
CID 115886368
N'-(2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine
CID 61309746
(1R,2S,4S)-N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 6594927
N-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]acetamide
CID 70907454
N-ethylbicyclo[2.2.1]heptan-2-amine
CID 19957372
6-(2-bicyclo[2.2.1]heptanylamino)hexan-1-ol
CID 115906734
(1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine
CID 98119396
2-chloro-N-(3-ethylsulfonylpropyl)cyclohexan-1-amine
CID 65096824
3-(2-bicyclo[2.2.1]heptanylamino)propanamide
CID 61309343

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine (CID 65093327) is N-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine is CCS(=O)(=O)CCCNC1CC2CCC1C2.
What is the InChIKey of N-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is QTTICYNYOAMDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-2-16(14,15)7-3-6-13-12-9-10-4-5-11(12)8-10/h10-13H,2-9H2,1H3.
What are the key properties of N-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine?
N-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 245.39 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 65093327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).